SCHEMBL9429644

SCHEMBL9429644

CC=CC(=O)N(c1ccc(-c2ccc(OC)cc2)s1)C1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.37
▸ TRPM8 Q7Z2W7 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MC4R P32245 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ HSD17B2 P37059 2/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ MMP2 P08253 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9429162 0.91 HDAC6 (0.41) TRPM8MC4RMCHR1CHEK1HSD17B2
SCHEMBL9429798 0.89 CDK2AP1 (0.35) TRPM8MCHR1CHEK1RAB9AHSD17B2
SCHEMBL9429417 0.89 ERCC5 (0.39) MCHR1CHEK1MMP13
SCHEMBL9429376 0.89 MBTPS1 (0.36) KDM4EALDH1A1MC4RMCHR1MMP13
SCHEMBL9429984 0.88 SLC6A4 (0.39) MCHR1CHEK1
SCHEMBL9428532 0.86 MCHR1 (0.40) MCHR1CHEK1MMP1MMP13
SCHEMBL9429749 0.86 EP300 (0.35) MCHR1MMP13EP300
SCHEMBL9428671 0.85 MMP13 (0.33) MMP13
SCHEMBL9429264 0.85 PRF1 (0.39) KDM4ENPC1MAPTRAB9A
SCHEMBL9429795 0.84 SLC6A4 (0.34) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 — — US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 — — US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 — — EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 — — US disclosed
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